Charge-sensitive vibrational modes in the (EDT-TTF-OX)2AsF6 chiral molecular conductors

• Authors: Iwona Olejniczak , Arkadiusz Frąckowiak , Jacek Matysiak , Augustin Madalan , Flavia Pop , Narcis Avarvari
• Languages of publication: EN

Abstracts

EN

Infrared and Raman spectra of three chiral molecular conductors (EDT-TTF-OX)2AsF6, comprising of two salts based on enantiopure EDT-TTF-OX donor molecules and one based on their racemic mixture, have been measured as a function of temperature. In the frequency range of the C=C stretching vibrations of EDT-TTF-OX, charge-sensitive modes are identified based on theoretical calculations for neutral and oxidized EDT-TTF-OX using density functional theory (DFT) methods. The positions of C=C stretching modes in both Raman and infrared spectra of the (EDT-TTF-OX)2AsF6 materials are analyzed assuming a linear relationship between the frequency and charge of the molecule. The charge density on the EDTTTF-OX donor molecule is estimated to be +0.5 in all investigated materials and does not change with temperature. Therefore we suggest, that M-I transition observed in (EDT-TTF-OX)2AsF6 chiral molecular conductors at low temperature is not related to the charge ordering mechanism.

Keywords

EN

chirality; conducting materials; infrared spectra; Raman spectra; density functional calculations

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2014
• Volume: 12
• Issue: 3
• Pages: 215-220

Dates

published

1 - 3 - 2014

online

13 - 3 - 2014

Contributors

author

Iwona Olejniczak

• Institute of Molecular Physics Polish Academy of Sciences, Smoluchowskiego 17, 60-179, Poznań, Poland

author

Arkadiusz Frąckowiak

• Institute of Molecular Physics Polish Academy of Sciences, Smoluchowskiego 17, 60-179, Poznań, Poland

author

Jacek Matysiak

author

Augustin Madalan

• Laboratoire Moltech Anjou, UMR 6200 CNRS, Universite d’Angers, UFR Sciences, Bât. K, 2 Bd. Lavoisier, 49045, Angers, France

author

Flavia Pop

• Laboratoire Moltech Anjou, UMR 6200 CNRS, Universite d’Angers, UFR Sciences, Bât. K, 2 Bd. Lavoisier, 49045, Angers, France

author

Narcis Avarvari

• Laboratoire Moltech Anjou, UMR 6200 CNRS, Universite d’Angers, UFR Sciences, Bât. K, 2 Bd. Lavoisier, 49045, Angers, France

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Identifiers

DOI

10.2478/s11534-014-0443-1